N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1-methylimidazole-2-carboxamide

C14H24N4O3 — CID 133266265

IUPACN-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1-methylimidazole-2-carboxamide
SMILESCN(C)CCO[C@@H]1CCOC[C@@H]1NC(=O)c1nccn1C
InChIInChI=1S/C14H24N4O3/c1-17(2)7-9-21-12-4-8-20-10-11(12)16-14(19)13-15-5-6-18(13)3/h5-6,11-12H,4,7-10H2,1-3H3,(H,16,19)/t11-,12+/m0/s1
InChIKeyHGQKKDRQVYRDFB-NWDGAFQWSA-N
MW296.37 g/mol
LogP-0.11
Rot. Bonds6

About N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1-methylimidazole-2-carboxamide

N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1-methylimidazole-2-carboxamide (PubChem CID 133266265) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1-methylimidazole-2-carboxamide
PubChem CID133266265
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC NameN-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1-methylimidazole-2-carboxamide
SMILESCN(C)CCO[C@@H]1CCOC[C@@H]1NC(=O)c1nccn1C
InChIInChI=1S/C14H24N4O3/c1-17(2)7-9-21-12-4-8-20-10-11(12)16-14(19)13-15-5-6-18(13)3/h5-6,11-12H,4,7-10H2,1-3H3,(H,16,19)/t11-,12+/m0/s1
InChIKeyHGQKKDRQVYRDFB-NWDGAFQWSA-N
XLogP-0.11
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]furan-2-carboxamide
CID 133267426
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 91783077
N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-3-(5-methyltetrazol-1-yl)propanamide
CID 133268591
N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 91784775
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 91767405
N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(2,5-dimethylphenyl)acetamide
CID 91761241
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-fluoropyridine-4-carboxamide
CID 91761132
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 91790068
N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]methanesulfonamide
CID 91798271
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 91786606
N-[(3R,3aR,7aR)-1-[(3R)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1-methylimidazole-2-carboxamide
CID 97460444
5-chloro-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]thiophene-2-carboxamide
CID 91788646

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1-methylimidazole-2-carboxamide (CID 133266265) is N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1-methylimidazole-2-carboxamide is CN(C)CCO[C@@H]1CCOC[C@@H]1NC(=O)c1nccn1C.
What is the InChIKey of N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1-methylimidazole-2-carboxamide?
The InChIKey is HGQKKDRQVYRDFB-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-17(2)7-9-21-12-4-8-20-10-11(12)16-14(19)13-15-5-6-18(13)3/h5-6,11-12H,4,7-10H2,1-3H3,(H,16,19)/t11-,12+/m0/s1.
What are the key properties of N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1-methylimidazole-2-carboxamide?
N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1-methylimidazole-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of -0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 133266265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).